N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide

C21H26N2O3 — CID 112817297

IUPACN-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESCC1CCCC(C)C1NC(=O)COc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C21H26N2O3/c1-15-6-5-7-16(2)21(15)23-19(24)14-25-17-9-11-18(12-10-17)26-20-8-3-4-13-22-20/h3-4,8-13,15-16,21H,5-7,14H2,1-2H3,(H,23,24)
InChIKeyIKUPQFZCRPECTO-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.19
Rot. Bonds6

About N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide

N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide (PubChem CID 112817297) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
PubChem CID112817297
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESCC1CCCC(C)C1NC(=O)COc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C21H26N2O3/c1-15-6-5-7-16(2)21(15)23-19(24)14-25-17-9-11-18(12-10-17)26-20-8-3-4-13-22-20/h3-4,8-13,15-16,21H,5-7,14H2,1-2H3,(H,23,24)
InChIKeyIKUPQFZCRPECTO-UHFFFAOYSA-N
XLogP4.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 42945211
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119568739
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 75370235
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36701987
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119538496
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
N-(cyclohexylmethyl)-2-(3-pyridin-2-yloxyphenoxy)acetamide
CID 25345413
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87004197
3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid
CID 120531785
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide (CID 112817297) is N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide is CC1CCCC(C)C1NC(=O)COc1ccc(Oc2ccccn2)cc1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The InChIKey is IKUPQFZCRPECTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-6-5-7-16(2)21(15)23-19(24)14-25-17-9-11-18(12-10-17)26-20-8-3-4-13-22-20/h3-4,8-13,15-16,21H,5-7,14H2,1-2H3,(H,23,24).
What are the key properties of N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide?
N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide is sourced from PubChem (CID 112817297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).